Monomers

Acrylic acid 4-acetylphenyl ester

Identifiers

IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.9232    0.4153    0.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3832   -0.6570    0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9576   -0.7568    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747   -1.7644   -0.4782 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    0.2781    0.4217 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7534    0.2452    0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0973   -0.2297    1.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4575   -0.2226    1.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0212    0.2650   -0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1670    0.7436   -1.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2139    0.7336   -0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4598    0.2731   -0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9168    0.7228   -1.4329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4013   -0.2407    0.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3628    1.2734    1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9937    0.4724    0.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0151   -1.4644   -0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730   -0.6212    2.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1465   -0.5971    1.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5972    1.1243   -2.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8029    1.1323   -1.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5285    0.5226    1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0027   -1.1545    1.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3853   -0.4936    0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 11  6  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers